2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C16H14ClN5OS — CID 86992034

IUPAC2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H14ClN5OS/c1-10(24-12-7-5-11(17)6-8-12)15(23)20-16-19-14(21-22-16)13-4-2-3-9-18-13/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyHKDNGCYBJAZSIH-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 86992034) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID86992034
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H14ClN5OS/c1-10(24-12-7-5-11(17)6-8-12)15(23)20-16-19-14(21-22-16)13-4-2-3-9-18-13/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyHKDNGCYBJAZSIH-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 51868670
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 75137045
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057837
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 86992034) is 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is HKDNGCYBJAZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-10(24-12-7-5-11(17)6-8-12)15(23)20-16-19-14(21-22-16)13-4-2-3-9-18-13/h2-10H,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 359.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 86992034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).